2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

C18H13F6N3 — CID 1046755

IUPAC2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C18H13F6N3/c19-17(20,21)16(18(22,23)24)26-14(11-12-7-3-1-4-8-12)25-15(27-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26,27)
InChIKeyUAHOVJSNVOHXFE-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.50
Rot. Bonds3

About 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 1046755) has the molecular formula C18H13F6N3 and a molecular weight of 385.31 g/mol. Its IUPAC name is 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID1046755
Molecular FormulaC18H13F6N3
Molecular Weight385.31 g/mol
Exact Mass385.10
IUPAC Name2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C18H13F6N3/c19-17(20,21)16(18(22,23)24)26-14(11-12-7-3-1-4-8-12)25-15(27-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26,27)
InChIKeyUAHOVJSNVOHXFE-UHFFFAOYSA-N
XLogP4.50
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 1046755) is 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)NC(c2ccccc2)=N1.
What is the InChIKey of 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is UAHOVJSNVOHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3/c19-17(20,21)16(18(22,23)24)26-14(11-12-7-3-1-4-8-12)25-15(27-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26,27).
What are the key properties of 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 385.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 1046755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).